N-[[3-[3-[(1-methyl-3-oxidanylidene-piperazin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[3-[3-[(1-methyl-3-oxidanylidene-piperazin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-[3-[(1-methyl-3-oxo-piperazin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-[3-[(1-methyl-3-oxo-1-piperazin-1-iumyl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-[3-[(1-methyl-3-oxopiperazin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[3-[(3-keto-1-methyl-piperazin-1-ium-1-yl)methyl]phenyl]benzyl]-piperonylamide Formula: C27H28N3O4+ MolecularWeight: 458.52892

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNC(=O)C1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[N+]1(CCNC(=O)C1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H27N3O4/c1-30(11-10-28-26(31)17-30)16-20-5-3-7-22(13-20)21-6-2-4-19(12-21)15-29-27(32)23-8-9-24-25(14-23)34-18-33-24/h2-9,12-14H,10-11,15-18H2,1H3,(H-,28,29,31,32)/p+1